S-quinolin-3-yl 2-[2,5-bis(azanyl)pentanoylamino]-3-phenyl-propanethioate

Systemtic Name: S-quinolin-3-yl 2-[2,5-bis(azanyl)pentanoylamino]-3-phenyl-propanethioate Openeye Name: S-(3-quinolyl) 2-(2,5-diaminopentanoylamino)-3-phenyl-propanethioate CAS Name: 2-[(2,5-diamino-1-oxopentyl)amino]-3-phenylpropanethioic acid S-(3-quinolinyl) ester IUPAC Name: S-quinolin-3-yl 2-(2,5-diaminopentanoylamino)-3-phenylpropanethioate Traditional Name: 2-(2,5-diaminopentanoylamino)-3-phenyl-propanethioic acid S-(3-quinolyl) ester Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)SC2=CC3=CC=CC=C3N=C2)NC(=O)C(CCCN)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)SC2=CC3=CC=CC=C3N=C2)NC(=O)C(CCCN)N

InChI

InChI=1S/C23H26N4O2S/c24-12-6-10-19(25)22(28)27-21(13-16-7-2-1-3-8-16)23(29)30-18-14-17-9-4-5-11-20(17)26-15-18/h1-5,7-9,11,14-15,19,21H,6,10,12-13,24-25H2,(H,27,28)